1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H25N5O6 MolecularWeight: 383.3996

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H25N5O6/c1-26-9-7-20(8-10-27-2)15-13(21(24)25)14(17-11-18-15)19-5-3-12(4-6-19)16(22)23/h11-12H,3-10H2,1-2H3,(H,22,23)